| # | Line 385 | Line 385 | namespace OpenMD { | |
|---|---|---|
| 385 | ||
| 386 | return; | |
| 387 | } | |
| 388 | + | |
| 389 | + | RealType SC::getSuggestedCutoffRadius(AtomType* at1, AtomType* at2) { |
| 390 | + | if (!initialized_) initialize(); |
| 391 | + | pair<AtomType*, AtomType*> key = make_pair(at1, at2); |
| 392 | + | map<pair<AtomType*, AtomType*>, SCInteractionData>::iterator it; |
| 393 | + | it = MixingMap.find(key); |
| 394 | + | if (it == MixingMap.end()) |
| 395 | + | return 0.0; |
| 396 | + | else { |
| 397 | + | SCInteractionData mixer = (*it).second; |
| 398 | + | return mixer.rCut; |
| 399 | + | } |
| 400 | + | } |
| 401 | } | |
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